In silico pentapeptide design for the inhibition between S100 calcium-binding A9 (S100A9) proteins

被引：0
|
作者：
Jintao Pan [1 ]
Chong Lee Ng [1 ]
Theam Soon Lim [1 ]
Yee Siew Choong [1 ]
机构：
[1] Universiti Sains Malaysia,Institute for Research in Molecular Medicine (INFORMM)
来源：
Journal of Molecular Modeling | 2025年 / 31卷 / 3期
关键词：
Virtual screening; S100A9 amyloid aggregate; Molecular dynamics simulation; Peptide design; MMGBSA binding free energy;
D O I：
10.1007/s00894-025-06298-8
中图分类号：
学科分类号：
摘要：
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